(3R,4R)-1-(furan-3-ylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-(furan-3-ylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-(3-furylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-(3-furanylmethyl)-4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-(furan-3-ylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(3-furfuryl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Formula: C19H29N4O2+3 MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=COC=C4

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=COC=C4

InChI

InChI=1S/C19H26N4O2/c24-18-14-21(13-16-5-12-25-15-16)7-4-17(18)22-8-10-23(11-9-22)19-3-1-2-6-20-19/h1-3,5-6,12,15,17-18,24H,4,7-11,13-14H2/p+3/t17-,18-/m1/s1